ethyl 2-[[6-[3-(dimethylcarbamoyl)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]ethanoate

Systemtic Name: ethyl 2-[[6-[3-(dimethylcarbamoyl)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-[3-(dimethylcarbamoyl)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-[3-[dimethylamino(oxo)methyl]phenoxy]-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-[3-(dimethylcarbamoyl)phenoxy]-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-[3-(dimethylcarbamoyl)phenoxy]-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C18H21N5O6S MolecularWeight: 435.45424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C(=NC(=N1)SC)OC2=CC=CC(=C2)C(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C(=NC(=N1)SC)OC2=CC=CC(=C2)C(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O6S/c1-5-28-13(24)10-19-15-14(23(26)27)16(21-18(20-15)30-4)29-12-8-6-7-11(9-12)17(25)22(2)3/h6-9H,5,10H2,1-4H3,(H,19,20,21)